Monomers

Acrylic acid 4-acetylphenyl ester

Identifiers

IUPAC name
(4-acetylphenyl) prop-2-enoate
InchI
InChI=1S/C11H10O3/c1-3-11(13)14-10-6-4-9(5-7-10)8(2)12/h3-7H,1H2,2H3
InchI Key
FFWDBWLGIPNATR-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccc(cc1)C(=O)C
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)OC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O3
Heavy Atom Count
14
Molecular Weight
190.198
Exact Molecular Weight
190.063
Valence Electrons
72
Radical Electrons
0
tPSA
43.37
MolLogP
1.9806
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
    5.3183   -0.4312    0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3508    0.2266   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9618   -0.1911   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6429   -1.2002    0.6584 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9115    0.4847   -0.6385 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5899    0.1318   -0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074   -0.7362   -1.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3289   -1.0897   -1.2970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0901   -0.5636   -0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5222    0.3060    0.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883    0.6403    0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4951   -0.9461   -0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0105   -1.7375   -0.9794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3593   -0.4141    0.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0957   -1.2857    0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3444   -0.1368    0.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5309    1.1073   -0.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5555   -1.1860   -2.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8113   -1.7668   -1.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1096    0.7158    1.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3008    1.3274    1.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6915    0.5979    0.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7741   -0.3821    1.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2291   -1.0699    1.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 11  6  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  7 18  1  0
  8 19  1  0
 10 20  1  0
 11 21  1  0
 14 22  1  0
 14 23  1  0
 14 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers